3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

C17H22N2O6S2 — CID 9055901

IUPAC3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1OCC
InChIInChI=1S/C17H22N2O6S2/c1-4-24-16-11-10-15(12-17(16)25-5-2)27(22,23)19-18-26(20,21)14-8-6-13(3)7-9-14/h6-12,18-19H,4-5H2,1-3H3
InChIKeyBKTQNOWYFFBUEN-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.96
Rot. Bonds9

About 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (PubChem CID 9055901) has the molecular formula C17H22N2O6S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
PubChem CID9055901
Molecular FormulaC17H22N2O6S2
Molecular Weight414.51 g/mol
Exact Mass414.09
IUPAC Name3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1OCC
InChIInChI=1S/C17H22N2O6S2/c1-4-24-16-11-10-15(12-17(16)25-5-2)27(22,23)19-18-26(20,21)14-8-6-13(3)7-9-14/h6-12,18-19H,4-5H2,1-3H3
InChIKeyBKTQNOWYFFBUEN-UHFFFAOYSA-N
XLogP1.96
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide
CID 9055954
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9067995
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The IUPAC name of 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (CID 9055901) is 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The canonical SMILES for 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is CCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The InChIKey is BKTQNOWYFFBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S2/c1-4-24-16-11-10-15(12-17(16)25-5-2)27(22,23)19-18-26(20,21)14-8-6-13(3)7-9-14/h6-12,18-19H,4-5H2,1-3H3.
What are the key properties of 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide has a molecular weight of 414.51 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 9055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).